3-chloro-N-phenylpyridin-4-amine

C11H9ClN2 — CID 53468349

IUPAC3-chloro-N-phenylpyridin-4-amine
SMILESClc1cnccc1Nc1ccccc1
InChIInChI=1S/C11H9ClN2/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeySNRJCWQLJFAKQI-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.48
Rot. Bonds2

About 3-chloro-N-phenylpyridin-4-amine

3-chloro-N-phenylpyridin-4-amine (PubChem CID 53468349) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-chloro-N-phenylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-phenylpyridin-4-amine
PubChem CID53468349
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name3-chloro-N-phenylpyridin-4-amine
SMILESClc1cnccc1Nc1ccccc1
InChIInChI=1S/C11H9ClN2/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeySNRJCWQLJFAKQI-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-phenylpyridin-4-amine
CID 10634327
3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine
CID 66797687
N-(3-chloro-4-pyridinyl)benzenecarbothioamide
CID 14003969
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine
CID 166471142
2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158558488
trans-(1R,2R)-2-[4-[(3-chloro-4-pyridinyl)amino]phenoxy]cyclohexan-1-ol
CID 167975932
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
CID 79839104
N-(3-chloro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 79840947
3-anilinopyridine-4-carbothioamide
CID 114287995
N-(2-chlorophenyl)pyrimidin-5-amine
CID 82536995

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-phenylpyridin-4-amine?
The IUPAC name of 3-chloro-N-phenylpyridin-4-amine (CID 53468349) is 3-chloro-N-phenylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-phenylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-phenylpyridin-4-amine is Clc1cnccc1Nc1ccccc1.
What is the InChIKey of 3-chloro-N-phenylpyridin-4-amine?
The InChIKey is SNRJCWQLJFAKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,(H,13,14).
What are the key properties of 3-chloro-N-phenylpyridin-4-amine?
3-chloro-N-phenylpyridin-4-amine has a molecular weight of 204.66 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-phenylpyridin-4-amine is sourced from PubChem (CID 53468349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).