5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile

C7H4ClF2N3 — CID 130102414

IUPAC5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(Cl)c(N)c(C(F)F)n1
InChIInChI=1S/C7H4ClF2N3/c8-4-1-3(2-11)13-6(5(4)12)7(9)10/h1,7H,12H2
InChIKeyNDMVLRLLYGMQNL-UHFFFAOYSA-N
MW203.58 g/mol
LogP2.13
Rot. Bonds1

About 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile

5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130102414) has the molecular formula C7H4ClF2N3 and a molecular weight of 203.58 g/mol. Its IUPAC name is 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130102414
Molecular FormulaC7H4ClF2N3
Molecular Weight203.58 g/mol
Exact Mass203.01
IUPAC Name5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(Cl)c(N)c(C(F)F)n1
InChIInChI=1S/C7H4ClF2N3/c8-4-1-3(2-11)13-6(5(4)12)7(9)10/h1,7H,12H2
InChIKeyNDMVLRLLYGMQNL-UHFFFAOYSA-N
XLogP2.13
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.58
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816705
5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130103305
6-bromo-4-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130101605
3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134674147
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-sulfonamide
CID 130103115
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535
6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 134686189

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile (CID 130102414) is 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(Cl)c(N)c(C(F)F)n1.
What is the InChIKey of 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is NDMVLRLLYGMQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3/c8-4-1-3(2-11)13-6(5(4)12)7(9)10/h1,7H,12H2.
What are the key properties of 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile?
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 203.58 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130102414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).