2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine

C9H12ClN3 — CID 169473234

IUPAC2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine
SMILESCNCC=Cc1ccc(N)c(Cl)n1
InChIInChI=1S/C9H12ClN3/c1-12-6-2-3-7-4-5-8(11)9(10)13-7/h2-5,12H,6,11H2,1H3
InChIKeyYZJYRUFCIMPNMV-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.55
Rot. Bonds3

About 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine

2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine (PubChem CID 169473234) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine
PubChem CID169473234
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine
SMILESCNCC=Cc1ccc(N)c(Cl)n1
InChIInChI=1S/C9H12ClN3/c1-12-6-2-3-7-4-5-8(11)9(10)13-7/h2-5,12H,6,11H2,1H3
InChIKeyYZJYRUFCIMPNMV-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine
CID 169475126
4-(5-amino-6-chloro-2-pyridinyl)but-3-enoic acid
CID 170483206
methyl 3-(5-amino-6-chloro-2-pyridinyl)prop-2-enoate
CID 169478728
6-methyl-2-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473261
6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473240
N-[3-(5-amino-6-methyl-2-pyridinyl)prop-2-enyl]acetamide
CID 169465091
6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde
CID 169473370
2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine
CID 169473384
4-(6-chloro-2-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495248
3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474620
6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine
CID 170495397
N-methyl-3-(5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169473566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine?
The IUPAC name of 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine (CID 169473234) is 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine is CNCC=Cc1ccc(N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine?
The InChIKey is YZJYRUFCIMPNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-12-6-2-3-7-4-5-8(11)9(10)13-7/h2-5,12H,6,11H2,1H3.
What are the key properties of 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine?
2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine has a molecular weight of 197.67 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine is sourced from PubChem (CID 169473234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).