6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C14H15ClN2O — CID 86727215

IUPAC6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(Cl)nc(C3CC3)c2CO1
InChIInChI=1S/C14H15ClN2O/c1-14(2)5-9-10(6-16)13(15)17-12(8-3-4-8)11(9)7-18-14/h8H,3-5,7H2,1-2H3
InChIKeyPOHDMPINRKZNGG-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.34
Rot. Bonds1

About 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 86727215) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID86727215
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(Cl)nc(C3CC3)c2CO1
InChIInChI=1S/C14H15ClN2O/c1-14(2)5-9-10(6-16)13(15)17-12(8-3-4-8)11(9)7-18-14/h8H,3-5,7H2,1-2H3
InChIKeyPOHDMPINRKZNGG-UHFFFAOYSA-N
XLogP3.34
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 919252
6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71137208
(2R)-4-(5-cyano-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-N-methyl-2-propan-2-ylpiperazine-1-carboxamide
CID 129166703
6-[(3R)-4-butanoyl-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71136884
6-[(3S)-4-butanoyl-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 138404117
8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71119107
8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90283286
2-[4-(5-cyano-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 71119012
2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 817267
4-(5-cyano-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-yl-N-prop-2-ynylpiperazine-1-carboxamide
CID 130273220
8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90295100
8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90282629

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 86727215) is 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(Cl)nc(C3CC3)c2CO1.
What is the InChIKey of 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is POHDMPINRKZNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-14(2)5-9-10(6-16)13(15)17-12(8-3-4-8)11(9)7-18-14/h8H,3-5,7H2,1-2H3.
What are the key properties of 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 262.74 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 86727215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).