2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile

C10H9ClFN3 — CID 164663167

IUPAC2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(NCC2CC2)nc1Cl
InChIInChI=1S/C10H9ClFN3/c11-9-7(4-13)3-8(12)10(15-9)14-5-6-1-2-6/h3,6H,1-2,5H2,(H,14,15)
InChIKeyCKRXNVKKVVRSEB-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.57
Rot. Bonds3

About 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile

2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile (PubChem CID 164663167) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile
PubChem CID164663167
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(NCC2CC2)nc1Cl
InChIInChI=1S/C10H9ClFN3/c11-9-7(4-13)3-8(12)10(15-9)14-5-6-1-2-6/h3,6H,1-2,5H2,(H,14,15)
InChIKeyCKRXNVKKVVRSEB-UHFFFAOYSA-N
XLogP2.57
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-chloropyridine-3,5-dicarbonitrile
CID 295901
2-[3-(1-Benzylpiperidin-4-yl)propylamino]-6-chloropyridine-3,5-dicarbonitrile
CID 72376172
2-Chloro-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile
CID 49864067
2-Chloro-6-(pyrrolidin-1''-yl)pyridine-3,5-dicarbonitrile
CID 46927952
2-[4-(1-Benzylpiperidin-4-yl)butylamino]-6-chloropyridine-3,5-dicarbonitrile
CID 72374595
2-[2-(1-Benzylpiperidin-4-yl)ethylamino]-6-chloropyridine-3,5-dicarbonitrile
CID 73346133
2-Chloro-6-(dimethylamino)pyridine-3,5-dicarbonitrile
CID 49864066
6-Amino-2-chloro-5-fluoronicotinonitrile
CID 88543284
6-Chloro-2,4-bis(propan-2-ylamino)pyridine-3-carbonitrile
CID 12296750
5-Cyano-6-chloro-7-azaindoline
CID 129791512
3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
CID 29031773
2-Amino-6-(prop-2-enylamino)pyridine-3,5-dicarbonitrile
CID 101525978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile (CID 164663167) is 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile is N#Cc1cc(F)c(NCC2CC2)nc1Cl.
What is the InChIKey of 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile?
The InChIKey is CKRXNVKKVVRSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c11-9-7(4-13)3-8(12)10(15-9)14-5-6-1-2-6/h3,6H,1-2,5H2,(H,14,15).
What are the key properties of 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile?
2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile has a molecular weight of 225.65 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 164663167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).