(Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine

C9H13ClN2 — CID 134292305

IUPAC(Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine
SMILESCC1=CN(/C(C)=C\N)CC(Cl)=C1
InChIInChI=1S/C9H13ClN2/c1-7-3-9(10)6-12(5-7)8(2)4-11/h3-5H,6,11H2,1-2H3/b8-4-
InChIKeyTTWNUGOEXJQNDH-YWEYNIOJSA-N
MW184.67 g/mol
LogP2.15
Rot. Bonds1

About (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine

(Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine (PubChem CID 134292305) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine
PubChem CID134292305
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name(Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine
SMILESCC1=CN(/C(C)=C\N)CC(Cl)=C1
InChIInChI=1S/C9H13ClN2/c1-7-3-9(10)6-12(5-7)8(2)4-11/h3-5H,6,11H2,1-2H3/b8-4-
InChIKeyTTWNUGOEXJQNDH-YWEYNIOJSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine (CID 134292305) is (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine is CC1=CN(/C(C)=C\N)CC(Cl)=C1.
What is the InChIKey of (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine?
The InChIKey is TTWNUGOEXJQNDH-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-7-3-9(10)6-12(5-7)8(2)4-11/h3-5H,6,11H2,1-2H3/b8-4-.
What are the key properties of (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine?
(Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine has a molecular weight of 184.67 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-chloro-5-methyl-2H-pyridin-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 134292305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).