4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile

C14H10N2O2 — CID 167360837

IUPAC4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile
SMILESCn1c2c(ccc1=O)-c1cc(C#N)ccc1OC2
InChIInChI=1S/C14H10N2O2/c1-16-12-8-18-13-4-2-9(7-15)6-11(13)10(12)3-5-14(16)17/h2-6H,8H2,1H3
InChIKeyKKOHHWCWTCBDBT-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.82
Rot. Bonds

About 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile

4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile (PubChem CID 167360837) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile.

Molecular Properties

Compound Name4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile
PubChem CID167360837
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile
SMILESCn1c2c(ccc1=O)-c1cc(C#N)ccc1OC2
InChIInChI=1S/C14H10N2O2/c1-16-12-8-18-13-4-2-9(7-15)6-11(13)10(12)3-5-14(16)17/h2-6H,8H2,1H3
InChIKeyKKOHHWCWTCBDBT-UHFFFAOYSA-N
XLogP1.82
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile
CID 155039002
1-oxo-3H-2-benzofuran-5-carbonitrile
CID 821218
4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile
CID 22123092
2-ethylidene-1,3-dioxoindene-5-carbonitrile
CID 145350850
9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile
CID 121443075
4-[5-(bromomethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 139649527
9,10-dioxoanthracene-2-carbonitrile
CID 13182761
3-[4-(2-cyano-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]propanoic acid;hydrate
CID 159876362
(3S)-3,5-dimethyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-8-carbonitrile
CID 168751205
4-ethyl-3,4-dihydro-2H-chromene-6-carbonitrile
CID 67574974
2,2-dimethyl-3-methylidene-4-oxochromene-6-carbonitrile
CID 14517982
4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile
CID 19347964

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile?
The IUPAC name of 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile (CID 167360837) is 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile.
What is the SMILES notation for 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile?
The canonical SMILES for 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile is Cn1c2c(ccc1=O)-c1cc(C#N)ccc1OC2.
What is the InChIKey of 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile?
The InChIKey is KKOHHWCWTCBDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-16-12-8-18-13-4-2-9(7-15)6-11(13)10(12)3-5-14(16)17/h2-6H,8H2,1H3.
What are the key properties of 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile?
4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile is sourced from PubChem (CID 167360837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).